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[ CAS No. 23778-52-1 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 23778-52-1
Chemical Structure| 23778-52-1
Structure of 23778-52-1 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 23778-52-1 ]

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Product Details of [ 23778-52-1 ]

CAS No. :23778-52-1 MDL No. :MFCD00045995
Formula : C11H24O6 Boiling Point : No data available
Linear Structure Formula :- InChI Key :SLNYBUIEAMRFSZ-UHFFFAOYSA-N
M.W : 252.30 Pubchem ID :90255
Synonyms :
Chemical Name :Pentaethylene Glycol Monomethyl Ether

Calculated chemistry of [ 23778-52-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 17
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 14
Num. H-bond acceptors : 6.0
Num. H-bond donors : 1.0
Molar Refractivity : 61.58
TPSA : 66.38 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -8.69 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.19
Log Po/w (XLOGP3) : -1.2
Log Po/w (WLOGP) : -0.31
Log Po/w (MLOGP) : -1.17
Log Po/w (SILICOS-IT) : 1.48
Consensus Log Po/w : 0.4

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 1.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 0.28
Solubility : 476.0 mg/ml ; 1.89 mol/l
Class : Highly soluble
Log S (Ali) : 0.3
Solubility : 503.0 mg/ml ; 2.0 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : -2.45
Solubility : 0.899 mg/ml ; 0.00356 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.82

Safety of [ 23778-52-1 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:
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